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Compound InformationSONAR Target prediction
Name:

PTAEROXYLIN

Unique Identifier:SPE00100513
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:6.787  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1COc2cc3OC(C)=CC(=O)c3c(O)c2CC=1
Class:chromone
Source:Ptaeroxylon obliquum, Cedrelopsis grevei
Reference:J Chem Soc (C) 1966:114; 1967:145; Tet Lett 1967:3459

Found: 577 nonactive | as graph: single | with analogs [1] << Back 441 442 443 444 445 446 447 448 449 450  Next >> [577]
Species: 4932
Condition: KEM1
Replicates: 2
Raw OD Value: r im 0.5825±0.00487904
Normalized OD Score: sc h 0.9595±0.00375051
Z-Score: -1.6736±0.24086
p-Value: 0.0989902
Z-Factor: -0.825612
Fitness Defect: 2.3127
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2008-05-08 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00112
Plate DMSO Control (-):0.5933250000000001±0.01162
Plate Z-Factor:0.9420
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DBLink | Rows returned: 1
3646533

internal high similarity DBLink | Rows returned: 0

active | Cluster 4376 | Additional Members: 4 | Rows returned: 2
SPE00200447 0.542372881355932
SPE00100719 0

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